Geometry & MOs

Info

ID:	356001
PubChem CID:	127290991
Reduced:	OSN5C15H25 (1)
Stoich.:	ABC5D15E25 (1)
Weight, g/mol:	244.124549
ΔH_f, kcal/mol:	-9.98
Dipole, Da:	3.42
IP(EA), eV:	-8.65(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-3-yl)-3-(thian-4-yl)urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)NC3CCSCC3

DOS

IR

Vibrations